Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ
Phosphorus is ubiquitous in biochemistry, being found in the phosphate groups of nucleic acids and the energy-transferring system of adenine nucleotides ( e.g. ATP). Kβ X-ray emission spectroscopy (XES) of phosphorus has been largely unexplored, with no previous applications to biomolecules. Here, t...
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| Veröffentlicht in: | Chemical science (Cambridge) 2021-04, Vol.12 (22), p.7888-7901 |
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| creator | Mathe, Zachary McCubbin Stepanic, Olivia Peredkov, Sergey DeBeer, Serena |
| description | Phosphorus is ubiquitous in biochemistry, being found in the phosphate groups of nucleic acids and the energy-transferring system of adenine nucleotides (
e.g.
ATP). Kβ X-ray emission spectroscopy (XES) of phosphorus has been largely unexplored, with no previous applications to biomolecules. Here, the potential of P Kβ XES to study phosphate-containing biomolecules, including ATP and NADPH, is evaluated, as is the application of the technique to aqueous solution samples. P Kβ spectra offer a detailed picture of phosphate valence electronic structure, reporting on subtle non-covalent effects, such as hydrogen bonding and ionic interactions, that are key to enzymatic catalysis. Spectral features are interpreted using density functional theory (DFT) calculations, and potential applications to the study of biological energy conversion are highlighted. |
| doi_str_mv | 10.1039/d1sc01266e |
| format | Article |
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e.g.
ATP). Kβ X-ray emission spectroscopy (XES) of phosphorus has been largely unexplored, with no previous applications to biomolecules. Here, the potential of P Kβ XES to study phosphate-containing biomolecules, including ATP and NADPH, is evaluated, as is the application of the technique to aqueous solution samples. P Kβ spectra offer a detailed picture of phosphate valence electronic structure, reporting on subtle non-covalent effects, such as hydrogen bonding and ionic interactions, that are key to enzymatic catalysis. Spectral features are interpreted using density functional theory (DFT) calculations, and potential applications to the study of biological energy conversion are highlighted.</description><identifier>ISSN: 2041-6520</identifier><identifier>EISSN: 2041-6539</identifier><identifier>DOI: 10.1039/d1sc01266e</identifier><identifier>PMID: 34168842</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Adenine ; Adenosine triphosphate ; Aqueous solutions ; Biomolecules ; Chemistry ; Density functional theory ; Electronic structure ; Emission spectroscopy ; Energy conversion ; Hydrogen bonding ; Ionic interactions ; Nucleic acids ; Nucleotides ; Phosphorus ; Spectrum analysis</subject><ispartof>Chemical science (Cambridge), 2021-04, Vol.12 (22), p.7888-7901</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><rights>This journal is © The Royal Society of Chemistry 2021 The Royal Society of Chemistry</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c313t-f21fd2e418991c14e0beab52d21c521a65ff0c4c37dbe4a118596529e43fe1263</citedby><cites>FETCH-LOGICAL-c313t-f21fd2e418991c14e0beab52d21c521a65ff0c4c37dbe4a118596529e43fe1263</cites><orcidid>0000-0002-5196-3400 ; 0000-0002-4516-3511</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188515/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188515/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,53791,53793</link.rule.ids></links><search><creatorcontrib>Mathe, Zachary</creatorcontrib><creatorcontrib>McCubbin Stepanic, Olivia</creatorcontrib><creatorcontrib>Peredkov, Sergey</creatorcontrib><creatorcontrib>DeBeer, Serena</creatorcontrib><title>Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ</title><title>Chemical science (Cambridge)</title><description>Phosphorus is ubiquitous in biochemistry, being found in the phosphate groups of nucleic acids and the energy-transferring system of adenine nucleotides (
e.g.
ATP). Kβ X-ray emission spectroscopy (XES) of phosphorus has been largely unexplored, with no previous applications to biomolecules. Here, the potential of P Kβ XES to study phosphate-containing biomolecules, including ATP and NADPH, is evaluated, as is the application of the technique to aqueous solution samples. P Kβ spectra offer a detailed picture of phosphate valence electronic structure, reporting on subtle non-covalent effects, such as hydrogen bonding and ionic interactions, that are key to enzymatic catalysis. Spectral features are interpreted using density functional theory (DFT) calculations, and potential applications to the study of biological energy conversion are highlighted.</description><subject>Adenine</subject><subject>Adenosine triphosphate</subject><subject>Aqueous solutions</subject><subject>Biomolecules</subject><subject>Chemistry</subject><subject>Density functional theory</subject><subject>Electronic structure</subject><subject>Emission spectroscopy</subject><subject>Energy conversion</subject><subject>Hydrogen bonding</subject><subject>Ionic interactions</subject><subject>Nucleic acids</subject><subject>Nucleotides</subject><subject>Phosphorus</subject><subject>Spectrum analysis</subject><issn>2041-6520</issn><issn>2041-6539</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpdkd9KHTEQxoNUVKw3fYJAb0phNZM_u5ubQjlaFQUFLfQuZLOzPSt7km2SFc5r9UF8pqYqQjs3M8P8-Jj5hpAPwI6BCX3SQ3IMeF3jDjngTEJVK6HfvdWc7ZOjlB5YCSFA8WaP7AsJddtKfkD87TqkeR3ikujV02_6o4p2S3EzpjQGT9OMLseQXJi3tMdcukR98JULj3ZCn-noM0brcqETDQOdn_VsRtqNYRMmdMuEqWA0jXl5T3YHOyU8es2H5Pu3s_vVRXV9c365-npdOQEiVwOHoecoodUaHEhkHdpO8Z6DUxxsrYaBOelE03coLUCrdDlVoxQDFjPEIfnyojsv3QZ7VzaNdjJzHDc2bk2wo_l34se1-RkeTQttq0AVgU-vAjH8WjBlUyxxOE3WY1iS4UoqpRvW6IJ-_A99CEv05bxCCc2khkYU6vML5YqdKeLwtgww8_eT5hTuVs-fPBN_AAALkl8</recordid><startdate>20210429</startdate><enddate>20210429</enddate><creator>Mathe, Zachary</creator><creator>McCubbin Stepanic, Olivia</creator><creator>Peredkov, Sergey</creator><creator>DeBeer, Serena</creator><general>Royal Society of Chemistry</general><general>The Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0002-5196-3400</orcidid><orcidid>https://orcid.org/0000-0002-4516-3511</orcidid></search><sort><creationdate>20210429</creationdate><title>Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ</title><author>Mathe, Zachary ; McCubbin Stepanic, Olivia ; Peredkov, Sergey ; DeBeer, Serena</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c313t-f21fd2e418991c14e0beab52d21c521a65ff0c4c37dbe4a118596529e43fe1263</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Adenine</topic><topic>Adenosine triphosphate</topic><topic>Aqueous solutions</topic><topic>Biomolecules</topic><topic>Chemistry</topic><topic>Density functional theory</topic><topic>Electronic structure</topic><topic>Emission spectroscopy</topic><topic>Energy conversion</topic><topic>Hydrogen bonding</topic><topic>Ionic interactions</topic><topic>Nucleic acids</topic><topic>Nucleotides</topic><topic>Phosphorus</topic><topic>Spectrum analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Mathe, Zachary</creatorcontrib><creatorcontrib>McCubbin Stepanic, Olivia</creatorcontrib><creatorcontrib>Peredkov, Sergey</creatorcontrib><creatorcontrib>DeBeer, Serena</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Chemical science (Cambridge)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Mathe, Zachary</au><au>McCubbin Stepanic, Olivia</au><au>Peredkov, Sergey</au><au>DeBeer, Serena</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ</atitle><jtitle>Chemical science (Cambridge)</jtitle><date>2021-04-29</date><risdate>2021</risdate><volume>12</volume><issue>22</issue><spage>7888</spage><epage>7901</epage><pages>7888-7901</pages><issn>2041-6520</issn><eissn>2041-6539</eissn><abstract>Phosphorus is ubiquitous in biochemistry, being found in the phosphate groups of nucleic acids and the energy-transferring system of adenine nucleotides (
e.g.
ATP). Kβ X-ray emission spectroscopy (XES) of phosphorus has been largely unexplored, with no previous applications to biomolecules. Here, the potential of P Kβ XES to study phosphate-containing biomolecules, including ATP and NADPH, is evaluated, as is the application of the technique to aqueous solution samples. P Kβ spectra offer a detailed picture of phosphate valence electronic structure, reporting on subtle non-covalent effects, such as hydrogen bonding and ionic interactions, that are key to enzymatic catalysis. Spectral features are interpreted using density functional theory (DFT) calculations, and potential applications to the study of biological energy conversion are highlighted.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><pmid>34168842</pmid><doi>10.1039/d1sc01266e</doi><tpages>14</tpages><orcidid>https://orcid.org/0000-0002-5196-3400</orcidid><orcidid>https://orcid.org/0000-0002-4516-3511</orcidid><oa>free_for_read</oa></addata></record> |
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| source | DOAJ Directory of Open Access Journals; PubMed Central Open Access; EZB-FREE-00999 freely available EZB journals; PubMed Central |
| subjects | Adenine Adenosine triphosphate Aqueous solutions Biomolecules Chemistry Density functional theory Electronic structure Emission spectroscopy Energy conversion Hydrogen bonding Ionic interactions Nucleic acids Nucleotides Phosphorus Spectrum analysis |
| title | Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ |
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